2-[[4-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]sulfamoyl]benzoic acid

C22H15FN2O4S2 — CID 58874918

IUPAC2-[[4-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]sulfamoyl]benzoic acid
SMILESO=C(O)c1ccccc1S(=O)(=O)Nc1ccc(-c2csc(-c3ccccc3F)n2)cc1
InChIInChI=1S/C22H15FN2O4S2/c23-18-7-3-1-5-16(18)21-24-19(13-30-21)14-9-11-15(12-10-14)25-31(28,29)20-8-4-2-6-17(20)22(26)27/h1-13,25H,(H,26,27)
InChIKeyOAOUEYFTTNQLCM-UHFFFAOYSA-N
MW454.50 g/mol
LogP5.12
Rot. Bonds6

About 2-[[4-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]sulfamoyl]benzoic acid

2-[[4-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]sulfamoyl]benzoic acid (PubChem CID 58874918) has the molecular formula C22H15FN2O4S2 and a molecular weight of 454.50 g/mol. Its IUPAC name is 2-[[4-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]sulfamoyl]benzoic acid
PubChem CID58874918
Molecular FormulaC22H15FN2O4S2
Molecular Weight454.50 g/mol
Exact Mass454.05
IUPAC Name2-[[4-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]sulfamoyl]benzoic acid
SMILESO=C(O)c1ccccc1S(=O)(=O)Nc1ccc(-c2csc(-c3ccccc3F)n2)cc1
InChIInChI=1S/C22H15FN2O4S2/c23-18-7-3-1-5-16(18)21-24-19(13-30-21)14-9-11-15(12-10-14)25-31(28,29)20-8-4-2-6-17(20)22(26)27/h1-13,25H,(H,26,27)
InChIKeyOAOUEYFTTNQLCM-UHFFFAOYSA-N
XLogP5.12
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.50
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]sulfamoyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]sulfamoyl]benzoic acid?
The IUPAC name of 2-[[4-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]sulfamoyl]benzoic acid (CID 58874918) is 2-[[4-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-[[4-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-[[4-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]sulfamoyl]benzoic acid is O=C(O)c1ccccc1S(=O)(=O)Nc1ccc(-c2csc(-c3ccccc3F)n2)cc1.
What is the InChIKey of 2-[[4-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]sulfamoyl]benzoic acid?
The InChIKey is OAOUEYFTTNQLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O4S2/c23-18-7-3-1-5-16(18)21-24-19(13-30-21)14-9-11-15(12-10-14)25-31(28,29)20-8-4-2-6-17(20)22(26)27/h1-13,25H,(H,26,27).
What are the key properties of 2-[[4-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]sulfamoyl]benzoic acid?
2-[[4-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]sulfamoyl]benzoic acid has a molecular weight of 454.50 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 58874918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).